BDBM50401145 CHEMBL2205770

SMILES: Nc1nc2cc(ccn2n1)-c1cncc(c1)S(=O)(=O)NCc1ccccc1

InChI Key: InChIKey=AGOVQMAPVNSPIZ-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50401145   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50401145 (CHEMBL2205770) Show SMILES Nc1nc2cc(ccn2n1)-c1cncc(c1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C18H16N6O2S/c19-18-22-17-9-14(6-7-24(17)23-18)15-8-16(12-20-11-15)27(25,26)21-10-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2,(H2,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+7	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PIK3Cb				Bioorg Med Chem Lett 22: 4613-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.090 BindingDB Entry DOI: 10.7270/Q2HQ412B
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50401145 (CHEMBL2205770) Show SMILES Nc1nc2cc(ccn2n1)-c1cncc(c1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C18H16N6O2S/c19-18-22-17-9-14(6-7-24(17)23-18)15-8-16(12-20-11-15)27(25,26)21-10-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2,(H2,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PIK3Cd				Bioorg Med Chem Lett 22: 4613-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.090 BindingDB Entry DOI: 10.7270/Q2HQ412B
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50401145 (CHEMBL2205770) Show SMILES Nc1nc2cc(ccn2n1)-c1cncc(c1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C18H16N6O2S/c19-18-22-17-9-14(6-7-24(17)23-18)15-8-16(12-20-11-15)27(25,26)21-10-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2,(H2,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PIK3Ca				Bioorg Med Chem Lett 22: 4613-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.090 BindingDB Entry DOI: 10.7270/Q2HQ412B
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50401145 (CHEMBL2205770) Show SMILES Nc1nc2cc(ccn2n1)-c1cncc(c1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C18H16N6O2S/c19-18-22-17-9-14(6-7-24(17)23-18)15-8-16(12-20-11-15)27(25,26)21-10-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2,(H2,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PIK3Cg				Bioorg Med Chem Lett 22: 4613-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.090 BindingDB Entry DOI: 10.7270/Q2HQ412B
					More data for this Ligand-Target Pair